Hi Nagat, On Tue, Mar 27, 2012 at 9:16 AM, Nagat Mohammed <nagat_...@yahoo.com> wrote: > > Hi all > > I want to build ions with Avogadro with charge +3 or higher but the molecular > charge in control group have only 5 choices +2, +1,0, -1, -2. Can any one > help me in this problem?
The input file preview is editable. For instance, selecting "Dication" in the GAMESS input dialog inserts the line "ICHARG=2" into the input file. Simply change the 2 to a 3 and it will run the calculation, minus three electrons. Same goes for any other options that may be missing from the GUI, they can always be added to the preview. Hope this helps, Dave ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
